Sugi Predict

Sugi Predict / Compounds / SCHEMBL3522880

SCHEMBL3522880

SCHEMBL3522880

Cc1ccc(C(=O)Nc2nncs2)cc1-c1ccc2c(C3CCNCC3)noc2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.71
▸ LCK P06239 5/20 0.62
▸ MAP2K1 Q02750 2/20 0.62
▸ CSF1R P07333 2/20 0.58
▸ MAPK13 O15264 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KIT P10721 3/20 0.39
▸ KDR P35968 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK9 P45984 2/20 0.37
▸ MAPK10 P53779 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3525326 0.87 MAPK14 (0.71) MAPK14LCKMAP2K1CSF1RMAPK13
SCHEMBL6172096 0.85 MAPK14 (0.55) MAPK14LCKMAP2K1CSF1RMAPK13
SCHEMBL3522859 0.83 MAPK14 (1.00) MAPK14LCKMAP2K1CSF1RMAPK13
SCHEMBL3527617 0.81 MAPK14 (0.77) MAPK14LCKMAP2K1CSF1R
SCHEMBL3525945 0.79 MAPK14 (0.73) MAPK14LCKMAP2K1CSF1RMAPK13
SCHEMBL3524749 0.78 MAPK14 (0.68) MAPK14LCKMAP2K1CSF1RMAPK13
SCHEMBL3523710 0.77 MAPK14 (0.71) MAPK14LCKMAP2K1CSF1RMAPK13
SCHEMBL3527303 0.76 MAPK14 (1.00) MAPK14LCKMAP2K1CSF1RKDR
SCHEMBL3524366 0.74 MAPK14 (1.00) MAPK14LCKMAP2K1CSF1RMAPK13
SCHEMBL6170492 0.73 MAPK14 (0.55) MAPK14LCKMAP2K1CSF1RALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 — — US claimed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 — — US claimed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 — — US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 — — US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 — — US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 — — EP disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 MAPK14 11/4885LCK 303/4885MAP2K1 21/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.